!BIOSYM archive 3
PBC=ON
Frame 0  Number of Picoseconds =     5.0000
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.643248010    0.777744001    0.939744008 WTR  1      o*      O -0.8200
H11      1.121400046    0.905544019    1.801944065 WTR  1      h*      H  0.4100
H12      1.495439994    0.381167999    0.460295981 WTR  1      h*      H  0.4100
end
O1       6.377903795    6.354432106    2.353248096 WTR  2      o*      O -0.8200
H11      6.969096136    6.404400158    3.197592044 WTR  2      h*      H  0.4100
H12      6.860231924    7.085376120    1.893959928 WTR  2      h*      H  0.4100
end
O1       2.777328086    0.543599975    2.234376025 WTR  3      o*      O -0.8200
H11      2.326680064    0.960479951    3.006935906 WTR  3      h*      H  0.4100
H12      3.093768024   -0.212975979    2.808791900 WTR  3      h*      H  0.4100
end
O1       4.044887924    5.510304022    1.766304052 WTR  4      o*      O -0.8200
H11      5.041511822    5.491583920    1.714175963 WTR  4      h*      H  0.4100
H12      3.839111853    4.667327785    2.287439990 WTR  4      h*      H  0.4100
end
O1       1.456920040    1.436471951    5.896152020 WTR  5      o*      O -0.8200
H11      1.795608044    2.354399943    5.825591898 WTR  5      h*      H  0.4100
H12      0.776808017    1.533671987    6.644735956 WTR  5      h*      H  0.4100
end
O1       0.645119977    0.804960001    3.574799895 WTR  6      o*      O -0.8200
H11      1.211760020    0.483047980    4.318775797 WTR  6      h*      H  0.4100
H12      0.191952007    1.505303979    4.087368107 WTR  6      h*      H  0.4100
end
O1       2.751119900    6.932088089    4.621895885 WTR  7      o*      O -0.8200
H11      2.843711901    6.166800213    5.214600134 WTR  7      h*      H  0.4100
H12      2.705256057    7.482672000    5.459184122 WTR  7      h*      H  0.4100
end
O1       2.847239971    6.672167873   -0.094031811 WTR  8      o*      O -0.8200
H11      3.199895954    7.019280052    0.762192017 WTR  8      h*      H  0.4100
H12      2.801664090    5.774687862    0.297000012 WTR  8      h*      H  0.4100
end
end
Frame 1  Number of Picoseconds =     5.0500
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.787464005    0.702144009    1.022687995 WTR  1      o*      O -0.8200
H11      1.261224031    0.940608001    1.842984009 WTR  1      h*      H  0.4100
H12      1.495152032    0.496656007    0.457487977 WTR  1      h*      H  0.4100
end
O1       6.228648090    6.606071806    2.280311966 WTR  2      o*      O -0.8200
H11      6.579287910    6.505488110    3.152663970 WTR  2      h*      H  0.4100
H12      6.906744003    7.295184001    2.001383901 WTR  2      h*      H  0.4100
end
O1       2.961720085    0.432575995    2.279663944 WTR  3      o*      O -0.8200
H11      2.808215976    0.834192002    3.171672034 WTR  3      h*      H  0.4100
H12      3.319776106   -0.379008150    2.693519998 WTR  3      h*      H  0.4100
end
O1       4.020191860    5.430168200    1.728504002 WTR  4      o*      O -0.8200
H11      4.941431952    5.639471912    1.764144015 WTR  4      h*      H  0.4100
H12      4.014575958    4.480128050    1.745208049 WTR  4      h*      H  0.4100
end
O1       1.246895993    1.396152020    5.866631842 WTR  5      o*      O -0.8200
H11      1.592640030    2.332368064    5.899392128 WTR  5      h*      H  0.4100
H12      0.572184008    1.531511950    6.572448063 WTR  5      h*      H  0.4100
end
O1       0.712511981    0.765359974    3.554783964 WTR  6      o*      O -0.8200
H11      1.439495981    0.479375982    4.145327854 WTR  6      h*      H  0.4100
H12      0.433296007    1.464119947    4.176144075 WTR  6      h*      H  0.4100
end
O1       2.728656077    6.963191843    4.645943928 WTR  7      o*      O -0.8200
H11      3.408552074    6.317351961    5.011056089 WTR  7      h*      H  0.4100
H12      2.620007944    7.405056006    5.514840174 WTR  7      h*      H  0.4100
end
O1       2.781791925    6.725951958   -0.045359802 WTR  8      o*      O -0.8200
H11      3.255047965    7.079759789    0.762192017 WTR  8      h*      H  0.4100
H12      2.831255937    5.743151951    0.226511988 WTR  8      h*      H  0.4100
end
end
Frame 2  Number of Picoseconds =     5.1000
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.748728025    0.588095999    0.996191955 WTR  1      o*      O -0.8200
H11      1.335527980    0.838799983    1.774151981 WTR  1      h*      H  0.4100
H12      1.458215976    0.362951991    0.341352001 WTR  1      h*      H  0.4100
end
O1       6.050879860    6.760512114    2.297663927 WTR  2      o*      O -0.8200
H11      6.377544165    6.874415874    3.235032034 WTR  2      h*      H  0.4100
H12      6.719327974    7.383599997    1.901664090 WTR  2      h*      H  0.4100
end
O1       2.932199907    0.512136000    2.235168028 WTR  3      o*      O -0.8200
H11      2.719512105    0.869832015    3.124511933 WTR  3      h*      H  0.4100
H12      3.350520015   -0.330479908    2.583936095 WTR  3      h*      H  0.4100
end
O1       3.985632133    5.410440016    1.812528062 WTR  4      o*      O -0.8200
H11      4.970664167    5.586623812    1.901016068 WTR  4      h*      H  0.4100
H12      4.033223963    4.442111921    2.060784101 WTR  4      h*      H  0.4100
end
O1       1.344383991    1.367640030    5.875344086 WTR  5      o*      O -0.8200
H11      1.556711948    2.309399986    5.813136148 WTR  5      h*      H  0.4100
H12      0.630144024    1.341864002    6.548687983 WTR  5      h*      H  0.4100
end
O1       0.732240003    0.728207999    3.522168088 WTR  6      o*      O -0.8200
H11      1.093391991    0.133343996    4.209912014 WTR  6      h*      H  0.4100
H12      0.568655992    1.451015961    4.075056124 WTR  6      h*      H  0.4100
end
O1       2.891015983    7.045991850    4.660992193 WTR  7      o*      O -0.8200
H11      3.343967915    6.323039961    5.084495831 WTR  7      h*      H  0.4100
H12      2.646215916    7.412472005    5.564231873 WTR  7      h*      H  0.4100
end
O1       2.803895903    6.645096016   -0.059760046 WTR  8      o*      O -0.8200
H11      3.289896083    6.875423956    0.747576016 WTR  8      h*      H  0.4100
H12      3.050567937    5.710175800    0.055799999 WTR  8      h*      H  0.4100
end
end
Frame 3  Number of Picoseconds =     5.1500
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.711000019    0.492120016    0.990287983 WTR  1      o*      O -0.8200
H11      1.163016021    0.757511991    1.810152054 WTR  1      h*      H  0.4100
H12      1.601927984    0.311904001    0.531359982 WTR  1      h*      H  0.4100
end
O1       6.059520006    6.742800093    2.409191895 WTR  2      o*      O -0.8200
H11      6.539976168    6.942888165    3.208751965 WTR  2      h*      H  0.4100
H12      6.548400021    7.381008004    1.913111973 WTR  2      h*      H  0.4100
end
O1       2.851128101    0.434880012    2.226743960 WTR  3      o*      O -0.8200
H11      2.793240023    0.704520017    3.184920001 WTR  3      h*      H  0.4100
H12      3.311640000   -0.388007927    2.550096059 WTR  3      h*      H  0.4100
end
O1       4.017023849    5.447736025    1.724400008 WTR  4      o*      O -0.8200
H11      5.052887821    5.477760029    1.815192032 WTR  4      h*      H  0.4100
H12      3.806496191    4.653288031    2.253816032 WTR  4      h*      H  0.4100
end
O1       1.276776016    1.276056004    5.882616091 WTR  5      o*      O -0.8200
H11      1.311047995    2.248991919    5.986656189 WTR  5      h*      H  0.4100
H12      0.596375978    1.036727965    6.544511890 WTR  5      h*      H  0.4100
end
O1       0.691128016    0.825624007    3.500711918 WTR  6      o*      O -0.8200
H11      1.160279953    0.358919987    4.233024073 WTR  6      h*      H  0.4100
H12      0.559367985    1.739880002    3.949127913 WTR  6      h*      H  0.4100
end
O1       2.977559924    7.081775951    4.662864161 WTR  7      o*      O -0.8200
H11      3.621240091    6.645456076    5.265287876 WTR  7      h*      H  0.4100
H12      2.522519946    7.478639996    5.415695858 WTR  7      h*      H  0.4100
end
O1       2.913336039    6.708096170   -0.091728115 WTR  8      o*      O -0.8200
H11      3.265271902    7.212384000    0.677304018 WTR  8      h*      H  0.4100
H12      3.154823899    5.800824165    0.240624002 WTR  8      h*      H  0.4100
end
end
Frame 4  Number of Picoseconds =     5.2000
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.697535974    0.356687987    0.997416008 WTR  1      o*      O -0.8200
H11      0.976391995    0.646128005    1.922616005 WTR  1      h*      H  0.4100
H12      1.554336047    0.379151997    0.479735988 WTR  1      h*      H  0.4100
end
O1       6.184295940    6.597647953    2.557872105 WTR  2      o*      O -0.8200
H11      6.401808071    6.999696064    3.462264061 WTR  2      h*      H  0.4100
H12      6.941663790    7.051967812    2.105640078 WTR  2      h*      H  0.4100
end
O1       2.925719905    0.609695989    2.124576044 WTR  3      o*      O -0.8200
H11      2.797992039    0.977183998    3.038328052 WTR  3      h*      H  0.4100
H12      3.282912040   -0.241415977    2.517048025 WTR  3      h*      H  0.4100
end
O1       4.028759909    5.573880100    1.824696064 WTR  4      o*      O -0.8200
H11      4.974191809    5.553863955    1.971648073 WTR  4      h*      H  0.4100
H12      3.791735888    4.679711866    2.177279949 WTR  4      h*      H  0.4100
end
O1       1.227888036    1.316304052    5.946911860 WTR  5      o*      O -0.8200
H11      1.263024008    2.294928074    6.034680176 WTR  5      h*      H  0.4100
H12      0.600192010    1.193327987    6.723647833 WTR  5      h*      H  0.4100
end
O1       0.782856023    0.856223989    3.495383978 WTR  6      o*      O -0.8200
H11      1.577015948    0.427895996    3.934583902 WTR  6      h*      H  0.4100
H12      0.643176019    1.503216040    4.174560070 WTR  6      h*      H  0.4100
end
O1       2.846591949    7.148952198    4.558031845 WTR  7      o*      O -0.8200
H11      3.674304056    6.851015854    4.966343880 WTR  7      h*      H  0.4100
H12      2.399040055    7.245288000    5.449895954 WTR  7      h*      H  0.4100
end
O1       2.800007987    6.561792183    6.998400021 WTR  8      o*      O -0.8200
H11      3.045600057    6.948719931    7.880471975 WTR  8      h*      H  0.4100
H12      3.147048068    5.659200096    7.170263958 WTR  8      h*      H  0.4100
end
end
Frame 5  Number of Picoseconds =     5.2500
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.677447999    0.454464000    1.051776016 WTR  1      o*      O -0.8200
H11      1.192463994    0.687528008    1.876032043 WTR  1      h*      H  0.4100
H12      1.436832011    0.371808001    0.441503996 WTR  1      h*      H  0.4100
end
O1       6.311375999    6.377472067    2.554200053 WTR  2      o*      O -0.8200
H11      6.487559795    6.340536118    3.495959902 WTR  2      h*      H  0.4100
H12      7.071120071    6.984288168    2.246183968 WTR  2      h*      H  0.4100
end
O1       2.910095930    0.608328009    2.146032000 WTR  3      o*      O -0.8200
H11      2.564928031    0.776808017    3.064392042 WTR  3      h*      H  0.4100
H12      3.358152080   -0.212255859    2.495951915 WTR  3      h*      H  0.4100
end
O1       3.981959867    5.584248018    1.721880019 WTR  4      o*      O -0.8200
H11      4.950287962    5.821992159    1.943856096 WTR  4      h*      H  0.4100
H12      4.066415977    4.644144058    1.999728012 WTR  4      h*      H  0.4100
end
O1       1.139759982    1.205783951    5.937767887 WTR  5      o*      O -0.8200
H11      1.104983962    2.151792097    6.154271936 WTR  5      h*      H  0.4100
H12      0.647712010    0.816407990    6.680592155 WTR  5      h*      H  0.4100
end
O1       0.784080023    0.831672013    3.501144075 WTR  6      o*      O -0.8200
H11      1.266048038    0.577151996    4.329144144 WTR  6      h*      H  0.4100
H12      0.142416005    1.515167964    3.979296112 WTR  6      h*      H  0.4100
end
O1       2.891736102    7.193015957    4.560623932 WTR  7      o*      O -0.8200
H11      3.187727952    6.321167994    4.886351824 WTR  7      h*      H  0.4100
H12      2.786687922    7.633007991    5.464296198 WTR  7      h*      H  0.4100
end
O1       2.824127913    6.804863834   -0.176255894 WTR  8      o*      O -0.8200
H11      3.261815929    7.239672000    0.588599986 WTR  8      h*      H  0.4100
H12      3.116520023    5.889167976    0.059904000 WTR  8      h*      H  0.4100
end
end
Frame 6  Number of Picoseconds =     5.3000
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.630503976    0.418967995    0.970775986 WTR  1      o*      O -0.8200
H11      1.031544006    0.806184000    1.821887898 WTR  1      h*      H  0.4100
H12      1.453175998    0.299735999    0.453743988 WTR  1      h*      H  0.4100
end
O1       6.394176006    6.197183847    2.432015991 WTR  2      o*      O -0.8200
H11      6.648479891    6.339671803    3.364272022 WTR  2      h*      H  0.4100
H12      7.104600048    6.844679832    2.257199907 WTR  2      h*      H  0.4100
end
O1       2.814191937    0.654839981    2.191392016 WTR  3      o*      O -0.8200
H11      2.293992090    0.975168049    2.990375948 WTR  3      h*      H  0.4100
H12      3.366143990   -0.006120157    2.763432097 WTR  3      h*      H  0.4100
end
O1       3.949055815    5.635655880    1.773792028 WTR  4      o*      O -0.8200
H11      4.936967897    5.687280035    1.804176092 WTR  4      h*      H  0.4100
H12      3.832056141    4.710311794    2.078568006 WTR  4      h*      H  0.4100
end
O1       1.225584018    1.349136007    5.889312172 WTR  5      o*      O -0.8200
H11      1.484784007    2.321855950    5.976575804 WTR  5      h*      H  0.4100
H12      0.578447986    1.216584027    6.641855907 WTR  5      h*      H  0.4100
end
O1       0.668376017    0.703008002    3.512016034 WTR  6      o*      O -0.8200
H11      1.214784050    0.428472000    4.290335798 WTR  6      h*      H  0.4100
H12      0.152568005    1.261224031    4.095143938 WTR  6      h*      H  0.4100
end
O1       2.910960031    7.140600014    4.607999897 WTR  7      o*      O -0.8200
H11      3.731039858    7.014095879    5.183928108 WTR  7      h*      H  0.4100
H12      2.376503921    7.324992000    5.400360060 WTR  7      h*      H  0.4100
end
O1       2.919960022    6.901776123   -0.103607941 WTR  8      o*      O -0.8200
H11      3.188807917    7.212960000    0.819000024 WTR  8      h*      H  0.4100
H12      3.372623992    6.052320099    0.139176004 WTR  8      h*      H  0.4100
end
end
Frame 7  Number of Picoseconds =     5.3500
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.681840008    0.581687987    1.026648009 WTR  1      o*      O -0.8200
H11      1.083456016    0.859463990    1.875455904 WTR  1      h*      H  0.4100
H12      1.559448016    0.402767989    0.594576001 WTR  1      h*      H  0.4100
end
O1       6.323832178    6.073488092    2.298023987 WTR  2      o*      O -0.8200
H11      6.825743866    6.188615799    3.118967915 WTR  2      h*      H  0.4100
H12      6.738839865    6.851592207    1.866096067 WTR  2      h*      H  0.4100
end
O1       2.858544087    0.735695976    2.211984086 WTR  3      o*      O -0.8200
H11      2.780351901    1.294919980    3.005999923 WTR  3      h*      H  0.4100
H12      3.192192006   -0.111815929    2.615255928 WTR  3      h*      H  0.4100
end
O1       3.902903795    5.665679884    1.852632022 WTR  4      o*      O -0.8200
H11      4.888943911    5.545152140    1.843919992 WTR  4      h*      H  0.4100
H12      3.620447874    4.914503860    2.399544096 WTR  4      h*      H  0.4100
end
O1       1.187567997    1.361880040    5.822135925 WTR  5      o*      O -0.8200
H11      1.158335996    2.323151994    6.054335833 WTR  5      h*      H  0.4100
H12      0.511055982    1.029311979    6.455015802 WTR  5      h*      H  0.4100
end
O1       0.714959979    0.448776001    3.522168088 WTR  6      o*      O -0.8200
H11      1.522439969    0.256248003    4.049639940 WTR  6      h*      H  0.4100
H12      0.399744013    1.145736051    4.144967794 WTR  6      h*      H  0.4100
end
O1       2.987207937    0.056159998    4.631472015 WTR  7      o*      O -0.8200
H11      2.966543984   -0.841535997    5.050224066 WTR  7      h*      H  0.4100
H12      2.724192023    0.539423990    5.513111973 WTR  7      h*      H  0.4100
end
O1       2.876688051    6.898391819   -0.061271954 WTR  8      o*      O -0.8200
H11      3.124296069    7.337015994    0.811223978 WTR  8      h*      H  0.4100
H12      3.341015983    6.027911997    0.202175997 WTR  8      h*      H  0.4100
end
end
Frame 8  Number of Picoseconds =     5.4000
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.689976007    0.674639994    1.046375978 WTR  1      o*      O -0.8200
H11      1.179288018    0.869040012    1.872935915 WTR  1      h*      H  0.4100
H12      1.548575950    0.456480002    0.554256016 WTR  1      h*      H  0.4100
end
O1       6.380207920    6.160752153    2.233152080 WTR  2      o*      O -0.8200
H11      6.974784136    6.154847860    3.065976048 WTR  2      h*      H  0.4100
H12      6.788159895    6.939575958    1.794744051 WTR  2      h*      H  0.4100
end
O1       2.898792028    0.719496024    2.252736068 WTR  3      o*      O -0.8200
H11      2.751984000    1.229760003    3.074615979 WTR  3      h*      H  0.4100
H12      3.222576070   -0.103247881    2.715407896 WTR  3      h*      H  0.4100
end
O1       3.914711952    5.619239902    1.807055926 WTR  4      o*      O -0.8200
H11      4.942224169    5.491295958    1.859687948 WTR  4      h*      H  0.4100
H12      3.487895894    4.802327871    2.186423922 WTR  4      h*      H  0.4100
end
O1       1.031759977    1.262375987    5.822208023 WTR  5      o*      O -0.8200
H11      0.922895980    2.229624009    6.004151917 WTR  5      h*      H  0.4100
H12      0.580823994    0.948239958    6.654672146 WTR  5      h*      H  0.4100
end
O1       0.724319977    0.401832005    3.522239971 WTR  6      o*      O -0.8200
H11      1.466999996    0.287999994    4.135752153 WTR  6      h*      H  0.4100
H12      0.175104006    1.018584001    4.138775969 WTR  6      h*      H  0.4100
end
O1       2.921975970    0.058031999    4.665167856 WTR  7      o*      O -0.8200
H11      3.729743814    0.090144002    5.195159912 WTR  7      h*      H  0.4100
H12      2.418047905    0.066024003    5.525711918 WTR  7      h*      H  0.4100
end
O1       2.955384064    6.917759943   -0.058967829 WTR  8      o*      O -0.8200
H11      3.352391982    7.391015996    0.712007993 WTR  8      h*      H  0.4100
H12      3.155688000    6.010415840    0.328680012 WTR  8      h*      H  0.4100
end
end
Frame 9  Number of Picoseconds =     5.4500
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.714959979    0.603072006    0.968040025 WTR  1      o*      O -0.8200
H11      1.263095999    0.798479998    1.811159921 WTR  1      h*      H  0.4100
H12      1.463688004    0.558215976    0.338256007 WTR  1      h*      H  0.4100
end
O1       6.405839968    6.118128204    2.183471990 WTR  2      o*      O -0.8200
H11      7.039727926    6.127848101    2.921256065 WTR  2      h*      H  0.4100
H12      6.661008167    6.993072081    1.694447994 WTR  2      h*      H  0.4100
end
O1       2.848679996    0.697391993    2.247407913 WTR  3      o*      O -0.8200
H11      2.386943936    0.943488050    3.090312052 WTR  3      h*      H  0.4100
H12      3.420935941    0.032544000    2.770200062 WTR  3      h*      H  0.4100
end
O1       3.934080076    5.640119934    1.875528002 WTR  4      o*      O -0.8200
H11      4.859424162    5.423112059    1.922255945 WTR  4      h*      H  0.4100
H12      3.545783973    4.852080059    2.276639915 WTR  4      h*      H  0.4100
end
O1       1.146096003    1.373400021    5.833511925 WTR  5      o*      O -0.8200
H11      1.009799981    2.354903984    5.825519800 WTR  5      h*      H  0.4100
H12      0.428903997    1.158120024    6.510600185 WTR  5      h*      H  0.4100
end
O1       0.727559978    0.398736012    3.565944099 WTR  6      o*      O -0.8200
H11      1.207295966    0.319319987    4.473647833 WTR  6      h*      H  0.4100
H12      0.138815998    1.068048012    3.947400141 WTR  6      h*      H  0.4100
end
O1       2.980800033    0.118223995    4.698504066 WTR  7      o*      O -0.8200
H11      3.425616074   -0.641663790    5.115167856 WTR  7      h*      H  0.4100
H12      2.681639957    0.547056001    5.574168062 WTR  7      h*      H  0.4100
end
O1       2.820600057    6.892344189   -0.042768145 WTR  8      o*      O -0.8200
H11      3.277007961    7.011792183    0.804456013 WTR  8      h*      H  0.4100
H12      2.911608052    5.904360008    0.115200005 WTR  8      h*      H  0.4100
end
end
Frame 10  Number of Picoseconds =     5.5000
!DATE Mon Dec  1 18:10:28 2003
PBC    7.2000    7.2000    7.2000   90.0000   90.0000   90.0000  (P1)
O1       0.653760016    0.606455988    1.053216040 WTR  1      o*      O -0.8200
H11      1.111391973    0.852191985    1.865375948 WTR  1      h*      H  0.4100
H12      1.394207954    0.389232007    0.421199995 WTR  1      h*      H  0.4100
end
O1       6.470279932    6.136704111    2.291327906 WTR  2      o*      O -0.8200
H11      6.859583902    6.385319996    3.212784076 WTR  2      h*      H  0.4100
H12      7.078104115    6.759864092    1.934064102 WTR  2      h*      H  0.4100
end
O1       2.845511985    0.639863974    2.225088072 WTR  3      o*      O -0.8200
H11      2.638007927    0.928439999    3.146112084 WTR  3      h*      H  0.4100
H12      3.292560053   -0.165815878    2.520720077 WTR  3      h*      H  0.4100
end
O1       4.074048042    5.694407845    1.742615962 WTR  4      o*      O -0.8200
H11      5.097455835    5.533776140    1.747728038 WTR  4      h*      H  0.4100
H12      3.815280104    4.814496088    2.163095999 WTR  4      h*      H  0.4100
end
O1       1.124495959    1.296288013    5.887223911 WTR  5      o*      O -0.8200
H11      1.304711974    2.253239894    5.959152174 WTR  5      h*      H  0.4100
H12      0.454032004    1.074528015    6.563952112 WTR  5      h*      H  0.4100
end
O1       0.697103977    0.596160007    3.525839925 WTR  6      o*      O -0.8200
H11      1.223784041    0.430272004    4.395599842 WTR  6      h*      H  0.4100
H12      0.172800002    1.388808024    3.964752102 WTR  6      h*      H  0.4100
end
O1       2.882520032    0.033984001    4.647815895 WTR  7      o*      O -0.8200
H11      3.315168071   -0.670320082    5.187456179 WTR  7      h*      H  0.4100
H12      2.643839908    0.501767975    5.504255962 WTR  7      h*      H  0.4100
end
O1       2.782151985    6.822792149   -0.067464209 WTR  8      o*      O -0.8200
H11      3.196944022    7.308216003    0.712584025 WTR  8      h*      H  0.4100
H12      2.898863912    5.900328112    0.271296000 WTR  8      h*      H  0.4100
end
end
